Electronic structure of the substitutional versus interstitial manganese in GaN [PDF]
, 2004 Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site Mn_Ga versus the interstitial site Mn_I.
A. Zunger, +5 more
core +2 more sources
Variational Registration of Multiple Images with the SVD Based $$\mathrm {S}q\mathrm {N}$$ Distance Measure [PDF]
, 2019 Image registration, especially the quantification of image similarity, is an important task in image processing. Various approaches for the comparison of two images are discussed in the literature. However, although most of these approaches perform very well in a two image scenario, an extension to a multiple images scenario deserves attention. In this
Kai Brehmer +3 more
openaire +1 more source
In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS
FEBS Letters, EarlyView.We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka +11 more
wiley +1 more source
Distances in Random Graphs with Finite Mean and Infinite Variance Degrees [PDF]
, 2005 In this paper we study typical distances in random graphs with i.i.d. degrees of which the tail of the common distribution function is regularly varying with exponent $1-\tau$.
R. Hofstad +2 more
semanticscholar +1 more source
Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions
FEBS Letters, EarlyView.We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva +10 more
wiley +1 more source
2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
Acta Crystallographica Section E, 2010 In the title structure, C7H9N3O2·H2O, there are two formula units in the asymmetric unit. The molecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256  ...
Christopher R. Sparrow +2 more
doaj +1 more source
Cell wall target fragment discovery using a low‐cost, minimal fragment library
FEBS Letters, EarlyView.LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
wiley +1 more source
Bis(4,7-dichloro-1,10-phenanthroline-κ2N,N′)bis(dicyanamido-κN)copper(II)
Acta Crystallographica Section E, 2010 In the title compound, [Cu(C2N3)2(C12H6Cl2N2)2], the CuII atom is coordinated by two chelating 4,7-dichloro-1,10-phenanthroline (4,7-Cl-phen) ligands and two dicyanamide (dca) ligands in a cis arrangement, forming a distorted octahedral geometry.
Ivan Potočňák +2 more
doaj +1 more source
Electronic structure of porphyrin-based metal– organic frameworks and their suitability for solar fuel production photocatalysis [PDF]
, 2015 Metal–organic frameworks (MOFs) can be exceptionally good catalytic materials thanks to the presence of active metal centres and a porous structure that is advantageous for molecular adsorption and confinement.
Aziz, Alex +5 more
core
N-H...N Hydrogen Bonding in the Four Independent Molecules of (2S,4S,5R)-(-)-2-(1H-Imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine, with C-H...πarene, C-H...O and C-H...πC=C Interactions [PDF]
, 1998 The title compound, C₁₄H ₁₇N₃ O, prepared from (1R,2S)- (-)-ephedrine, crystallizes in space group P2₁ with four molecules in the asymmetric unit. The molecules, in pairs, take part in intermolecular N--H...N hydrogen bonding between the imidazolyl ...
Briody, John M. +2 more
core +1 more source